tert-butyl 2-carbamimidoyl-6-[5-(2-methoxy-2-oxidanylidene-ethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-6-[5-(2-methoxy-2-oxidanylidene-ethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-3-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-6-[5-(2-methoxy-2-oxo-ethyl)-4,5-dihydroisoxazol-3-yl]pyridine-3-carboxylate CAS Name: 2-carbamimidoyl-6-[5-(2-methoxy-2-oxoethyl)-4,5-dihydroisoxazol-3-yl]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-6-[5-(2-methoxy-2-oxoethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-3-carboxylate Traditional Name: 2-amidino-6-[5-(2-keto-2-methoxy-ethyl)-2-isoxazolin-3-yl]nicotinic acid tert-butyl ester Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(C=C1)C2=NOC(C2)CC(=O)OC)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(C=C1)C2=NOC(C2)CC(=O)OC)C(=N)N

InChI

InChI=1S/C17H22N4O5/c1-17(2,3)25-16(23)10-5-6-11(20-14(10)15(18)19)12-7-9(26-21-12)8-13(22)24-4/h5-6,9H,7-8H2,1-4H3,(H3,18,19)